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SMILES: c1(c([nH]c(=O)cc1C)SCC(=O)O)C#N Canonical SMILES: N#Cc1c(SCC(=O)O)[nH]c(=O)cc1C InChI: InChI=1S/C9H8N2O3S/c1-5-2-7(12)11-9(6(5)3-10)15-4-8(13)14/h2H,4H2,1H3,(H,11,12)(H,13,14) InChIKey: DEWBOXOLIKKUKF-UHFFFAOYSA-N
CBID:242848 http://www.chembase.cn/molecule-242848.html